Crystallography Open Database

Information card for entry 7056849

Preview

Coordinates	7056849.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H40 Cl2 N10 O22 Zn2
Calculated formula	C36 H39.976 Cl2 N10 O21.976 Zn2
Title of publication	Enhanced activity of trinuclear Zn(ii) complexes towards phosphate ester bond cleavage by introducing three-metal cooperativity
Authors of publication	Joshi, Pooja; Hussain, Navid; Ali, Shah Raj; Rishu, Rishu; Bhardwaj, Vimal K.
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	3
Pages of publication	2204
a	16.9402 ± 0.001 Å
b	12.8694 ± 0.0008 Å
c	21.046 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	4588.2 ± 0.5 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0766
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1662
Weighted residual factors for all reflections included in the refinement	0.1786
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
230562 (current)	2019-11-17	cif/ Updating files of 7056849, 7056850, 7056851 Original log message: Adding full bibliography for 7056849--7056851.cif.	7056849.cif
204563	2017-12-28	cif/ Adding structures of 7056849, 7056850, 7056851 via cif-deposit CGI script.	7056849.cif